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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2026	h2o	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-76.4272961237; Eh
	8-May-2026	co2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-188.602217580; Eh
	8-May-2026	co	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-113.322729756; Eh
	8-May-2026	cl	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	b3lyp	CC-PVDZ GEN	-460.382951705; Eh
	8-May-2026	re-bpy-co3-COO-1e_M2-teoa-co2-adduct-zwitt	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1621.54955011; Eh
	8-May-2026	re-bpy-co3-cl-2e_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1375.24883995; Eh
	8-May-2026	re-bpy-co3-cl-1e_M2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1375.17355198; Eh
	8-May-2026	re-bpy-co3-CO-2e_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1028.20474160; Eh
	8-May-2026	re-bpy-co3-CO-1e_M2	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1028.11577019; Eh
	8-May-2026	re-bpy-co3-CO_M1	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	LANL2DZ CC-PVDZ GEN	-1027.99952332; Eh

Results 7191-7200 of 103529 (Search time: 0.006 seconds).